4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine

C9H14F4N2S — CID 136819431

IUPAC4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C9H14F4N2S/c1-5-3-6(2)16-8(15-5)14-4-9(12,13)7(10)11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyPUIZRJMHRJIFLP-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.75
Rot. Bonds3

About 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine

4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine (PubChem CID 136819431) has the molecular formula C9H14F4N2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
PubChem CID136819431
Molecular FormulaC9H14F4N2S
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C9H14F4N2S/c1-5-3-6(2)16-8(15-5)14-4-9(12,13)7(10)11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyPUIZRJMHRJIFLP-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
CID 136755447
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136723649
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136848611
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine (CID 136819431) is 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC(F)(F)C(F)F)N1.
What is the InChIKey of 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The InChIKey is PUIZRJMHRJIFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2S/c1-5-3-6(2)16-8(15-5)14-4-9(12,13)7(10)11/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine has a molecular weight of 258.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136819431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).